SCHEMBL6236716

SCHEMBL6236716

CC(C)(C)NC(=S)N[C@@H](CO)Cc1cccc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.46
FOLH1 Q04609 11/20 0.45
NR1H4 Q96RI1 1/20 0.44
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX1 P07099 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6232713 0.83 NPC1 (0.55) NPC1RAB9AKMT2ACYP3A4MAPK1
SCHEMBL27484069 0.81 ANPEP (0.51) NPC1RAB9AKMT2AFOLH1ANPEP
SCHEMBL6193643 0.81 FOLH1 (0.51) FOLH1ANPEPENPEPCYP3A4MAPK1
SCHEMBL6210717 0.79 LMNA (0.44) KMT2A
SCHEMBL6211532 0.79 LMNA (0.44) KMT2A
SCHEMBL6210731 0.79 LMNA (0.44) KMT2A
SCHEMBL6237990 0.74 ALDH1A1 (0.44) NPC1RAB9AKMT2ACYP3A4
SCHEMBL6209680 0.74 CNR1 (0.44) NPC1RAB9AKMT2ACYP3A4MAPK1
SCHEMBL6209835 0.73 POLB (0.43) NPC1RAB9AKMT2ACYP3A4MAPK1
SCHEMBL6209840 0.73 POLB (0.43) NPC1RAB9AKMT2ACYP3A4MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299365-B1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed
US-6699895-B2 CYCLIZING THE TERT-BUTYL-THIOUREA DERIVATIVE TO FORM THE END PRODUCT AVENTIS PHARMA S.A. (FR) 2004-03-02 US disclosed
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same CARRY JEAN-CHRISTOPHE (FR) 2002-12-26 US disclosed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 US disclosed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 US disclosed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase NOS2, NOS3, NOS1 NPC1 3245/4885RAB9A 4602/4885KMT2A 1692/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 NPC1 2342/4885RAB9A 3994/4885KMT2A 1810/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 NPC1 3096/4885RAB9A 4632/4885KMT2A 1856/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.